omtx/lula-1

!Python

Nesso-1 is a fast, structure-based protein–ligand binding-affinity model. Given a protein sequence and a ligand (SMILES / CCD code / SDF), it predicts a binding affinity scalar along with a binder/non-binder score.

Deep learning library for Chemistry based on Tensorflow

Accurate prediction of drug-target binding affinity is essential in the early stages of drug discovery. This is an example of finetuning ibm/biomed.omics.bl.sm-ted-400 the task. Prediction of binding affinities using pKd, the negative logarithm of the dissociation constant, which reflects the…

The ibm/biomed.omics.bl.sm.ma-ted-458m model is a biomedical foundation model trained on over 2 billion biological samples across multiple modalities, including proteins, small molecules, and single-cell gene data. Designed for robust performance, it achieves state-of-the-art results over a variety…